LAMMPS (09 Jan 2020)
#Initialisation

units             nano
dimension         3
boundary          p p p
atom_style        full
comm_modify       cutoff 11.0
neighbor          7.80 bin
newton            on

#Read data

read_data           cnt.data
  orthogonal box = (0 0 0) to (600 600 60)
  2 by 2 by 1 MPI processor grid
  reading atoms ...
  500 atoms
  scanning bonds ...
  1 = max bonds/atom
  scanning angles ...
  1 = max angles/atom
  reading bonds ...
  498 bonds
  reading angles ...
  496 angles
  2 = max # of 1-2 neighbors
  2 = max # of 1-3 neighbors
  4 = max # of 1-4 neighbors
  6 = max # of special neighbors
  special bonds CPU = 0.000354767 secs
  read_data CPU = 0.00286365 secs
replicate 1 2 2
  orthogonal box = (0 0 0) to (600 1200 120)
  1 by 4 by 1 MPI processor grid
  2000 atoms
  1992 bonds
  1984 angles
  2 = max # of 1-2 neighbors
  2 = max # of 1-3 neighbors
  4 = max # of 1-4 neighbors
  6 = max # of special neighbors
  special bonds CPU = 0.00019598 secs
  replicate CPU = 0.00055337 secs

#Force field

bond_style        harmonic
bond_coeff        1 268896.77 2.0

angle_style       harmonic
angle_coeff       1 46562.17 180.0

pair_style        mesocnt
pair_coeff      * * 10_10.cnt
Reading potential file 10_10.cnt with DATE: 2020-01-13

#Output

thermo          1000
dump            xyz all xyz 1000 cnt.xyz

#Simulation setup

timestep        1.0e-05

#Nose-Hoover thermostat
fix             nvt all nvt temp 300 300 0.001
run             10000
WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:226)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.177
  ghost atom cutoff = 11
  binsize = 5.0885, bins = 118 236 24
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair mesocnt, perpetual
      attributes: full, newton on
      pair build: full/bin
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 2.725 | 2.725 | 2.725 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4632.0136 5.7939238e-17   -4632.0136 -0.00015032304 
    1000    298.82235   -19950.274    13208.089    5628.7024 -0.0056205182 
    2000    300.43861   -28320.205    11980.287   -3902.1202 -0.0045324738 
    3000    300.41076   -36049.308    11339.149   -12273.513 -0.0018848513 
    4000    299.13326   -43471.424    11927.668   -19159.998 -0.00042845101 
    5000    293.78857   -50083.216    12333.969   -25586.752 -0.0015664633 
    6000    296.45482   -56329.621    12326.419   -31730.328 -0.0012773686 
    7000    298.19097   -62119.086      12581.4   -37192.937 -0.0013862831 
    8000    299.46424   -67880.989     13057.62   -42425.908 -0.00020874264 
    9000    301.80677   -73332.208    13597.237   -47240.532 -0.00060074773 
   10000    307.17104   -78292.912    13818.889    -51757.51 -0.00056148282 
Loop time of 1.23665 on 4 procs for 10000 steps with 2000 atoms

Performance: 6986.607 ns/day, 0.003 hours/ns, 8086.351 timesteps/s
96.1% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.66321    | 0.68439    | 0.71413    |   2.5 | 55.34
Bond    | 0.28561    | 0.29434    | 0.30976    |   1.7 | 23.80
Neigh   | 0.00043321 | 0.00043637 | 0.00043917 |   0.0 |  0.04
Comm    | 0.026656   | 0.05346    | 0.097228   |  12.7 |  4.32
Output  | 0.0070224  | 0.0073031  | 0.0081415  |   0.6 |  0.59
Modify  | 0.12769    | 0.15394    | 0.18743    |   6.5 | 12.45
Other   |            | 0.04279    |            |       |  3.46

Nlocal:    500 ave 504 max 496 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    22 ave 24 max 20 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  3330 ave 3368 max 3292 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 13320
Ave neighs/atom = 6.66
Ave special neighs/atom = 5.952
Neighbor list builds = 1
Dangerous builds = 0
Total wall time: 0:00:02
